2-(1H-pyrazol-5-ylmethylamino)-1-thiophen-3-ylethanol

C10H13N3OS — CID 111440446

IUPAC2-(1H-pyrazol-5-ylmethylamino)-1-thiophen-3-ylethanol
SMILESOC(CNCc1ccn[nH]1)c1ccsc1
InChIInChI=1S/C10H13N3OS/c14-10(8-2-4-15-7-8)6-11-5-9-1-3-12-13-9/h1-4,7,10-11,14H,5-6H2,(H,12,13)
InChIKeyOYPPCIFKBZBDMK-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.29
Rot. Bonds5

About 2-(1H-pyrazol-5-ylmethylamino)-1-thiophen-3-ylethanol

2-(1H-pyrazol-5-ylmethylamino)-1-thiophen-3-ylethanol (PubChem CID 111440446) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-ylmethylamino)-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-(1H-pyrazol-5-ylmethylamino)-1-thiophen-3-ylethanol
PubChem CID111440446
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name2-(1H-pyrazol-5-ylmethylamino)-1-thiophen-3-ylethanol
SMILESOC(CNCc1ccn[nH]1)c1ccsc1
InChIInChI=1S/C10H13N3OS/c14-10(8-2-4-15-7-8)6-11-5-9-1-3-12-13-9/h1-4,7,10-11,14H,5-6H2,(H,12,13)
InChIKeyOYPPCIFKBZBDMK-UHFFFAOYSA-N
XLogP1.29
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-pyrrol-2-ylmethylamino)-1-thiophen-3-ylethanol
CID 103578658
1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol
CID 106435058
2-(2-fluoroethylamino)-1-thiophen-3-ylethanol
CID 106435014
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285482
1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
CID 111440487
1-(3-propan-2-yloxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
CID 111423579
2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-1-thiophen-3-ylethanol
CID 106434750
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol
CID 106434996
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-1-thiophen-3-ylethanol
CID 103685180
2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-thiophen-3-ylethanol
CID 106435304
1-(2,4-dichlorophenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
CID 111114881

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-ylmethylamino)-1-thiophen-3-ylethanol?
The IUPAC name of 2-(1H-pyrazol-5-ylmethylamino)-1-thiophen-3-ylethanol (CID 111440446) is 2-(1H-pyrazol-5-ylmethylamino)-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-(1H-pyrazol-5-ylmethylamino)-1-thiophen-3-ylethanol?
The canonical SMILES for 2-(1H-pyrazol-5-ylmethylamino)-1-thiophen-3-ylethanol is OC(CNCc1ccn[nH]1)c1ccsc1.
What is the InChIKey of 2-(1H-pyrazol-5-ylmethylamino)-1-thiophen-3-ylethanol?
The InChIKey is OYPPCIFKBZBDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c14-10(8-2-4-15-7-8)6-11-5-9-1-3-12-13-9/h1-4,7,10-11,14H,5-6H2,(H,12,13).
What are the key properties of 2-(1H-pyrazol-5-ylmethylamino)-1-thiophen-3-ylethanol?
2-(1H-pyrazol-5-ylmethylamino)-1-thiophen-3-ylethanol has a molecular weight of 223.30 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-ylmethylamino)-1-thiophen-3-ylethanol is sourced from PubChem (CID 111440446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).